4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide

C24H30N6O2 — CID 118982553

About 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide

4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide (PubChem CID 118982553) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
• PubChem CID: 118982553
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide
• SMILES: CCN(C)c1ccc(-c2cc(NC[C@@H](C)c3ccc(C(=O)NC)cc3OC)ncn2)cn1
• InChI: InChI=1S/C24H30N6O2/c1-6-30(4)23-10-8-18(14-27-23)20-12-22(29-15-28-20)26-13-16(2)19-9-7-17(24(31)25-3)11-21(19)32-5/h7-12,14-16H,6,13H2,1-5H3,(H,25,31)(H,26,28,29)/t16-/m1/s1
• InChIKey: QRTHIKXIQVBERI-MRXNPFEDSA-N
• XLogP: 3.58
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?

The IUPAC name of 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide (CID 118982553) is 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide.

What is the SMILES notation for 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?

The canonical SMILES for 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide is CCN(C)c1ccc(-c2cc(NC[C@@H](C)c3ccc(C(=O)NC)cc3OC)ncn2)cn1.

What is the InChIKey of 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?

The InChIKey is QRTHIKXIQVBERI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-6-30(4)23-10-8-18(14-27-23)20-12-22(29-15-28-20)26-13-16(2)19-9-7-17(24(31)25-3)11-21(19)32-5/h7-12,14-16H,6,13H2,1-5H3,(H,25,31)(H,26,28,29)/t16-/m1/s1.

What are the key properties of 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide?

4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide has a molecular weight of 434.54 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-1-[[6-[6-[ethyl(methyl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 118982553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).